SCHEMBL2304604

SCHEMBL2304604

COc1cc2cc[nH]c2cc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.58
TLR7 Q9NYK1 1/20 0.58
CSNK2A1 P68400 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
AHR P35869 2/20 0.46
CYP2A6 P11509 1/20 0.46
NR4A2 P43354 1/20 0.46
PTK6 Q13882 1/20 0.45
AXL P30530 1/20 0.45
TUBB4A P04350 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6666225 0.93 CSNK2A1 (0.55) TLR8TLR7CSNK2A1MEN1POLB
SCHEMBL1748737 0.84 TLR8 (0.60) TLR8TLR7CSNK2A1MEN1POLB
SCHEMBL187054 0.79 TLR8 (0.55) TLR8TLR7CSNK2A1MEN1POLB
SCHEMBL31236330 0.78 TLR8 (0.54) TLR8TLR7CSNK2A1MEN1POLB
SCHEMBL7866316 0.78 CSNK2A1 (0.55) TLR8TLR7CSNK2A1MEN1POLB
SCHEMBL3151356 0.78 TLR8 (0.54) TLR8TLR7CSNK2A1MEN1POLB
SCHEMBL29738151 0.78 TLR8 (0.54) TLR8TLR7MEN1POLBMAPK1
SCHEMBL296605 0.78 GPR84 (0.62) TLR8TLR7CSNK2A1MEN1POLB
SCHEMBL8355329 0.78 TLR8 (0.54) TLR8TLR7MEN1POLBMAPK1
SCHEMBL30403134 0.78 GPR84 (0.62) TLR8TLR7CSNK2A1MEN1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2351737-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles F. Hoffmann-La Roche AG (CH) 2011-08-03 EP disclosed
US-7803830-B2 3-amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-28 US disclosed
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2009-04-16 US disclosed
US-7446118-B2 3-amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2008-11-04 US disclosed
EP-1960355-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 EP disclosed
WO-2007062996-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof IDO1, RB1, AHR TLR8 3676/4885TLR7 2097/4885CSNK2A1 1026/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR TLR8 3676/4885TLR7 2097/4885CSNK2A1 1026/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.